Cross-validation strategies in QSPR modelling of chemical reactions-Reference-Cited by-同舟云学术

Cross-validation strategies in QSPR modelling of chemical reactions

Published:2021-02-19 Issue:3 Volume:32 Page:207-219
ISSN:1062-936X
Container-title:SAR and QSAR in Environmental Research
language:en
Short-container-title:SAR and QSAR in Environmental Research

Author:

Rakhimbekova A.¹^ORCID,Akhmetshin T.N.¹²^ORCID,Minibaeva G.I.¹^ORCID,Nugmanov R.I.¹^ORCID,Gimadiev T.R.³^ORCID,Madzhidov T.I.¹^ORCID,Baskin I.I.¹⁴^ORCID,Varnek A.²³^ORCID

Affiliation:

1. A.M. Butlerov Institute of Chemistry, Kazan Federal University, Kazan, Russia

2. Laboratory of Chemoinformatics, UMR 7140 CNRS, University of Strasbourg, Strasbourg, France

3. Institute for Chemical Reaction Design and Discovery, Hokkaido University, Sapporo, Japan

4. Department of Materials Science and Engineering, Technion – Israel Institute of Technology, Haifa, Israel

Funder

Russian Science Foundation

Publisher

Informa UK Limited

Subject

Drug Discovery,Molecular Medicine,General Medicine,Bioengineering

Link

https://www.tandfonline.com/doi/pdf/10.1080/1062936X.2021.1883107

Reference43 articles.

1. Practical Aspects of the Validation of Toxicity Test Procedures

2. The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models

3. Benchmarking of Linear and Nonlinear Approaches for Quantitative Structure−Property Relationship Studies of Metal Complexation with Ionophores

4. Validation of QSAR Models

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